[Pw_forum] Band Structure plot

Tsogbadrakh N Tsogbadrakh at num.edu.mn
Tue Nov 20 06:12:32 CET 2012


Dear All,

I have checked interactively, the problem is same. 
Main problem is "NaN" on the output file for plotband. The postscript does not understand it.

My input file for plotband is not properly ? 

 
  
-------
Dr. Tsogbadrakh Namsrai

________________________________________
From: pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] on behalf of Paolo Giannozzi [giannozz at democritos.it]
Sent: Monday, November 19, 2012 6:11 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] Band Structure plot

On Mon, 2012-11-19 at 06:07 +0000, Tsogbadrakh N wrote:


> My input file for plotband.x is below:
> -------------
>  Bulk_MoS2_NM_BANDS.dat
>    -8.0 10.0
>    Bulk_MoS2_NM_BANDS.gnuplot
>    Bulk_MoS2_NM_BANDS.ps
>    7.7085
>    0.05  7.7085
> -------------
>
> The output file for plotband.x looks like


... a mess. Run plotband,x interactively. It will prompt for what
it needs

PG

--
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy


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